CID 361062

N-dimethylacroyl loline

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(=CC(=O)N(C)C1C2CN3C1C(O2)CC3)C
InChI
InChI=1S/C13H20N2O2/c1-8(2)6-11(16)14(3)12-10-7-15-5-4-9(17-10)13(12)15/h6,9-10,12-13H,4-5,7H2,1-3H3
InChIKey
WBDAQNRRLRMPDN-UHFFFAOYSA-N
Compound name
N,3-dimethyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 160.3
[M+Na]+ 259.14170 165.4
[M-H]- 235.14520 163.7
[M+NH4]+ 254.18630 183.7
[M+K]+ 275.11564 165.5
[M+H-H2O]+ 219.14974 155.9
[M+HCOO]- 281.15068 177.3
[M+CH3COO]- 295.16633 199.2
[M+Na-2H]- 257.12715 158.7
[M]+ 236.15193 161.8
[M]- 236.15303 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.